==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-JAN-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 17-NOV-09 3KPV . COMPND 2 MOLECULE: PHENYLETHANOLAMINE N-METHYLTRANSFERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR N.DRINKWATER,J.L.MARTIN . 527 4 2 0 2 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 20560.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 373 70.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 46 8.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 54 10.2 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-1), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+0), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+1), SAME NUMBER PER 100 RESIDUES . 36 6.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 60 11.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 145 27.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 1.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+5), SAME NUMBER PER 100 RESIDUES . 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 *** HISTOGRAMS OF *** . 0 0 0 1 0 0 0 0 2 1 8 2 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 2 4 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 2 0 0 2 0 0 0 2 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 2 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 LADDERS PER SHEET . # RESIDUE AA STRUCTURE BP1 BP2 ACC N-H-->O O-->H-N N-H-->O O-->H-N TCO KAPPA ALPHA PHI PSI X-CA Y-CA Z-CA 1 24 A A 0 0 90 0, 0.0 4,-0.1 0, 0.0 205,-0.0 0.000 360.0 360.0 360.0 -76.1 34.8 52.4 31.8 2 25 A S > + 0 0 99 1,-0.2 3,-1.9 2,-0.2 4,-0.2 0.762 360.0 67.2 -75.8 -29.5 38.5 52.9 32.1 3 26 A A G > S+ 0 0 33 1,-0.3 3,-2.0 2,-0.2 4,-0.4 0.848 87.6 64.3 -58.1 -35.9 38.6 50.1 29.6 4 27 A Y G 3 S+ 0 0 9 1,-0.3 3,-0.3 2,-0.2 -1,-0.3 0.628 85.2 76.1 -65.3 -10.3 37.0 52.4 27.0 5 28 A Q G < S+ 0 0 130 -3,-1.9 -1,-0.3 1,-0.2 -2,-0.2 0.602 98.2 43.8 -75.6 -11.3 40.2 54.4 27.2 6 29 A R S < S+ 0 0 167 -3,-2.0 198,-0.5 -4,-0.2 197,-0.5 0.488 82.6 130.5-106.4 -9.1 41.9 51.8 25.1 7 30 A F - 0 0 9 -4,-0.4 195,-0.2 -3,-0.3 75,-0.1 -0.233 47.6-150.7 -50.0 121.0 39.1 51.4 22.6 8 31 A E > - 0 0 79 193,-2.3 4,-2.3 1,-0.2 5,-0.2 -0.883 5.1-157.2-101.9 111.7 40.5 51.7 19.1 9 32 A P H > S+ 0 0 17 0, 0.0 4,-2.4 0, 0.0 5,-0.2 0.878 92.2 47.8 -51.5 -47.5 38.0 53.1 16.5 10 33 A R H > S+ 0 0 119 1,-0.2 4,-3.0 2,-0.2 5,-0.1 0.900 111.7 49.6 -66.4 -40.6 39.7 51.6 13.4 11 34 A A H > S+ 0 0 17 2,-0.2 4,-3.1 1,-0.2 -1,-0.2 0.903 111.9 49.6 -62.5 -40.8 40.0 48.1 15.0 12 35 A Y H X S+ 0 0 8 -4,-2.3 4,-1.5 2,-0.2 5,-0.3 0.907 112.8 45.6 -64.4 -44.3 36.3 48.3 16.0 13 36 A L H X S+ 0 0 0 -4,-2.4 4,-2.9 -5,-0.2 5,-0.4 0.908 114.2 50.7 -63.8 -43.4 35.3 49.3 12.5 14 37 A R H X S+ 0 0 184 -4,-3.0 4,-1.0 1,-0.2 -2,-0.2 0.964 112.3 45.5 -55.2 -55.1 37.5 46.6 11.1 15 38 A N H < S+ 0 0 32 -4,-3.1 6,-0.2 1,-0.2 -1,-0.2 0.731 130.3 20.2 -62.6 -27.5 36.0 43.9 13.4 16 39 A N H < S+ 0 0 23 -4,-1.5 -2,-0.2 -5,-0.2 -1,-0.2 0.668 128.3 36.5-120.1 -25.2 32.4 44.8 12.8 17 40 A Y H < S+ 0 0 13 -4,-2.9 -3,-0.2 -5,-0.3 -2,-0.1 0.309 104.2 68.7-123.9 8.9 32.0 46.8 9.6 18 41 A A S X S- 0 0 28 -4,-1.0 4,-1.3 -5,-0.4 3,-0.4 -0.808 95.4 -23.3-115.5 163.5 34.5 45.2 7.3 19 42 A P T 4 S+ 0 0 109 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 -0.094 121.2 16.3 -50.6 146.7 34.2 41.6 5.9 20 43 A P T >4 S+ 0 0 62 0, 0.0 3,-2.0 0, 0.0 219,-0.1 -0.933 136.9 33.9 -80.7 -28.1 32.7 39.2 6.9 21 44 A R T 34 S+ 0 0 14 -3,-0.4 10,-0.6 1,-0.3 -5,-0.1 0.773 123.4 48.7 -58.6 -27.7 30.4 41.1 9.3 22 45 A G T 3< S+ 0 0 9 -4,-1.3 -1,-0.3 -8,-0.2 2,-0.3 0.433 78.4 119.5 -94.8 -1.6 30.3 44.1 7.0 23 46 A D < - 0 0 76 -3,-2.0 8,-0.3 -5,-0.2 6,-0.1 -0.496 37.0-178.4 -63.8 128.6 29.6 42.2 3.7 24 47 A L + 0 0 7 -2,-0.3 -1,-0.2 7,-0.1 5,-0.1 0.546 59.6 86.9-106.6 -9.1 26.3 43.6 2.4 25 48 A a S S+ 0 0 17 358,-0.1 359,-0.3 2,-0.1 -1,-0.1 0.888 79.7 65.2 -61.2 -43.8 25.9 41.4 -0.7 26 49 A N S > S- 0 0 71 1,-0.1 3,-1.7 357,-0.1 -1,-0.0 -0.726 74.1-150.4 -83.9 121.2 24.2 38.5 1.1 27 50 A P T 3 S+ 0 0 77 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.624 91.0 68.4 -69.2 -10.3 20.8 39.6 2.4 28 51 A N T 3 S+ 0 0 121 4,-0.1 2,-0.1 5,-0.0 -3,-0.0 0.424 80.6 102.9 -88.1 2.0 21.1 37.0 5.3 29 52 A G S <> S- 0 0 9 -3,-1.7 4,-1.8 -5,-0.1 5,-0.1 -0.339 83.9-111.9 -80.1 165.7 23.9 38.9 7.0 30 53 A V H > S+ 0 0 12 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.880 112.7 58.2 -62.7 -39.8 23.7 41.1 10.1 31 54 A G H > S+ 0 0 4 -10,-0.6 4,-2.3 -8,-0.3 5,-0.2 0.969 109.2 40.9 -55.8 -60.4 24.5 44.2 8.1 32 55 A P H > S+ 0 0 3 0, 0.0 4,-2.4 0, 0.0 -1,-0.2 0.891 114.1 55.1 -56.5 -41.5 21.5 44.0 5.7 33 56 A W H X S+ 0 0 33 -4,-1.8 4,-2.5 2,-0.2 -2,-0.2 0.917 108.8 47.0 -57.1 -47.4 19.2 42.9 8.5 34 57 A K H X S+ 0 0 10 -4,-2.5 4,-2.2 1,-0.2 -1,-0.2 0.945 114.0 46.6 -60.7 -49.3 20.1 45.9 10.6 35 58 A L H X S+ 0 0 2 -4,-2.3 4,-2.6 1,-0.2 -1,-0.2 0.855 111.4 53.8 -59.9 -37.2 19.6 48.3 7.7 36 59 A R H X S+ 0 0 69 -4,-2.4 4,-2.7 -5,-0.2 5,-0.3 0.927 107.3 49.4 -64.6 -47.8 16.3 46.5 6.9 37 60 A C H X S+ 0 0 1 -4,-2.5 4,-1.6 1,-0.2 -2,-0.2 0.925 113.4 47.5 -56.2 -46.1 15.0 47.0 10.4 38 61 A L H X S+ 0 0 4 -4,-2.2 4,-1.6 1,-0.2 -2,-0.2 0.936 114.6 45.3 -62.9 -46.4 15.9 50.7 10.3 39 62 A A H X S+ 0 0 7 -4,-2.6 4,-2.1 1,-0.2 -2,-0.2 0.904 110.2 51.6 -66.6 -45.7 14.3 51.3 6.9 40 63 A Q H X S+ 0 0 83 -4,-2.7 4,-0.7 1,-0.2 -1,-0.2 0.898 108.3 53.6 -60.2 -39.1 11.1 49.4 7.4 41 64 A T H ><>S+ 0 0 1 -4,-1.6 3,-0.6 -5,-0.3 5,-0.5 0.911 113.1 40.5 -64.3 -45.1 10.4 51.3 10.6 42 65 A F H ><5S+ 0 0 4 -4,-1.6 3,-1.4 1,-0.2 -1,-0.2 0.771 106.1 65.1 -74.5 -27.3 10.8 54.8 9.0 43 66 A A H 3<5S+ 0 0 83 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.710 88.6 70.5 -68.3 -18.4 8.9 53.7 5.9 44 67 A T T <<5S- 0 0 61 -4,-0.7 -1,-0.3 -3,-0.6 -2,-0.2 0.758 99.4-137.9 -65.9 -25.5 5.9 53.3 8.2 45 68 A G T < 5S+ 0 0 48 -3,-1.4 -3,-0.1 -4,-0.2 -2,-0.1 0.479 77.3 105.8 78.9 4.1 5.7 57.1 8.5 46 69 A E < + 0 0 96 -5,-0.5 2,-0.7 1,-0.1 -4,-0.1 0.566 63.5 70.5 -93.0 -10.3 5.1 56.9 12.2 47 70 A V S S+ 0 0 1 -6,-0.3 2,-0.3 -5,-0.2 -2,-0.2 -0.905 73.3 119.4-110.5 105.9 8.5 58.0 13.3 48 71 A S + 0 0 59 -2,-0.7 2,-0.3 105,-0.2 23,-0.1 -0.955 12.4 111.4-161.0 169.5 8.9 61.6 12.5 49 72 A G - 0 0 43 21,-0.8 23,-0.4 -2,-0.3 3,-0.1 -0.984 66.9 -74.6 149.5-155.1 9.6 65.1 13.8 50 73 A R S S+ 0 0 116 -2,-0.3 23,-2.7 1,-0.2 2,-0.4 0.757 99.5 44.6-112.2 -38.7 12.3 67.7 13.6 51 74 A T E +a 73 0A 6 21,-0.2 102,-1.0 20,-0.1 103,-0.9 -0.905 53.6 179.5-123.1 143.8 15.1 66.6 15.9 52 75 A L E -ab 74 154A 0 21,-2.5 23,-3.1 -2,-0.4 2,-0.5 -0.997 10.2-158.6-139.0 139.2 16.9 63.3 16.5 53 76 A I E -ab 75 155A 1 101,-1.7 103,-2.2 -2,-0.4 2,-0.6 -0.981 8.7-149.9-121.5 128.6 19.7 62.3 18.8 54 77 A D E > -ab 76 156A 0 21,-3.2 2,-0.6 -2,-0.5 23,-0.5 -0.845 17.2-146.2 -93.4 123.1 21.9 59.2 18.2 55 78 A I E 3 S- b 0 157A 0 101,-3.7 103,-0.6 -2,-0.6 106,-0.1 -0.805 75.9 -1.2 -96.4 121.8 23.2 57.8 21.5 56 79 A G T 3 S+ 0 0 1 -2,-0.6 -1,-0.2 101,-0.1 102,-0.2 0.952 72.4 175.3 68.5 51.2 26.6 56.2 21.5 57 80 A S X - 0 0 0 20,-3.0 3,-1.3 -3,-0.5 21,-0.2 0.811 12.1-174.7 -55.4 -35.7 27.3 56.8 17.8 58 81 A G T 3 - 0 0 0 19,-0.6 -1,-0.2 1,-0.2 29,-0.1 -0.405 62.9 -42.2 62.8-148.3 30.8 55.5 18.1 59 82 A P T 3 S+ 0 0 2 0, 0.0 2,-0.3 0, 0.0 -1,-0.2 -0.034 115.2 101.1 -97.6 31.3 32.7 55.9 14.8 60 83 A T < + 0 0 0 -3,-1.3 27,-0.1 1,-0.1 40,-0.0 -0.892 39.4 175.2-123.3 149.2 29.7 54.8 12.7 61 84 A V > + 0 0 1 -2,-0.3 3,-2.3 2,-0.1 4,-0.4 0.460 59.9 96.5-120.8 -9.9 27.0 56.5 10.7 62 85 A Y G > S+ 0 0 1 1,-0.3 3,-1.4 2,-0.2 4,-0.4 0.805 74.5 69.4 -55.1 -33.0 25.0 53.6 9.1 63 86 A Q G 3 S+ 0 0 2 1,-0.3 -1,-0.3 -6,-0.1 4,-0.1 0.471 103.1 43.7 -68.1 -0.2 22.4 53.8 11.9 64 87 A L G <> S+ 0 0 0 -3,-2.3 4,-2.4 2,-0.1 -1,-0.3 0.423 81.0 98.9-121.6 -2.4 21.2 57.1 10.5 65 88 A L T <4 S+ 0 0 0 -3,-1.4 4,-0.2 -4,-0.4 -2,-0.1 0.875 96.7 31.6 -58.1 -42.0 21.1 56.5 6.7 66 89 A S T >4 S+ 0 0 6 -4,-0.4 3,-0.6 1,-0.1 -1,-0.2 0.783 118.4 56.8 -84.3 -27.9 17.4 55.8 6.7 67 90 A A G >4 S+ 0 0 1 1,-0.2 3,-2.4 2,-0.1 4,-0.4 0.818 88.1 76.1 -70.7 -31.1 16.6 58.2 9.6 68 91 A C G >< S+ 0 0 0 -4,-2.4 3,-0.6 1,-0.3 -1,-0.2 0.713 87.5 57.0 -64.5 -23.6 18.1 61.3 8.0 69 92 A S G < S+ 0 0 36 -3,-0.6 -1,-0.3 -4,-0.2 -2,-0.1 0.418 108.1 50.4 -86.9 4.5 15.3 62.0 5.5 70 93 A H G < S+ 0 0 46 -3,-2.4 -21,-0.8 1,-0.2 2,-0.4 0.404 109.0 50.6-116.2 -2.5 12.9 62.1 8.4 71 94 A F < - 0 0 0 -3,-0.6 -1,-0.2 -4,-0.4 -21,-0.2 -0.935 52.7-168.6-146.8 117.0 14.7 64.6 10.7 72 95 A E S S+ 0 0 103 -2,-0.4 2,-0.5 -23,-0.4 -21,-0.2 0.738 83.4 50.3 -78.8 -23.4 16.2 67.9 9.7 73 96 A D E S+a 51 0A 14 -23,-2.7 -21,-2.5 55,-0.1 2,-0.4 -0.948 70.6 177.7-120.7 114.5 18.2 68.4 12.9 74 97 A I E -ac 52 128A 0 53,-2.7 55,-2.3 -2,-0.5 56,-1.0 -0.944 13.8-162.4-120.9 136.2 20.4 65.5 14.0 75 98 A T E -ac 53 130A 0 -23,-3.1 -21,-3.2 -2,-0.4 2,-0.3 -0.966 7.0-163.0-115.4 122.9 22.7 65.2 17.0 76 99 A M E -ac 54 131A 0 54,-2.5 56,-2.8 -2,-0.5 2,-0.3 -0.778 15.3-174.9-101.5 152.2 25.4 62.5 17.0 77 100 A T E + c 0 132A 0 -23,-0.5 -20,-3.0 -2,-0.3 -19,-0.6 -0.978 16.7 163.5-145.2 153.8 27.1 61.5 20.3 78 101 A D - 0 0 0 54,-2.0 56,-0.5 -2,-0.3 6,-0.0 -0.947 37.4-129.8-163.9 162.1 29.8 59.5 21.9 79 102 A F S S+ 0 0 80 -2,-0.3 2,-0.4 54,-0.2 -1,-0.1 0.749 89.6 73.1 -80.6 -26.1 31.7 59.2 25.2 80 103 A L > - 0 0 9 1,-0.1 4,-1.8 -3,-0.1 5,-0.1 -0.772 67.4-149.4-100.0 133.3 35.1 59.1 23.4 81 104 A E H > S+ 0 0 107 -2,-0.4 4,-2.6 1,-0.2 5,-0.2 0.879 100.5 58.0 -57.6 -42.6 36.9 62.0 21.8 82 105 A V H > S+ 0 0 59 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.897 105.6 48.5 -60.2 -42.5 38.5 59.6 19.3 83 106 A N H > S+ 0 0 0 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.926 111.7 50.0 -61.4 -44.2 35.1 58.3 18.1 84 107 A R H X S+ 0 0 50 -4,-1.8 4,-2.5 1,-0.2 -2,-0.2 0.884 110.6 50.2 -62.2 -38.8 33.9 61.9 17.7 85 108 A Q H X S+ 0 0 87 -4,-2.6 4,-2.1 2,-0.2 -1,-0.2 0.914 109.1 51.3 -63.5 -42.8 37.0 62.7 15.7 86 109 A E H X S+ 0 0 9 -4,-2.4 4,-1.1 1,-0.2 12,-0.3 0.869 110.6 49.3 -65.1 -36.1 36.4 59.7 13.5 87 110 A L H >X S+ 0 0 1 -4,-2.3 4,-2.5 1,-0.2 3,-0.7 0.941 107.7 54.9 -63.8 -47.9 32.9 60.9 12.9 88 111 A G H 3X S+ 0 0 18 -4,-2.5 4,-2.2 1,-0.2 6,-0.3 0.873 100.8 58.8 -53.7 -43.7 34.1 64.4 12.1 89 112 A R H 3<>S+ 0 0 65 -4,-2.1 5,-3.2 1,-0.2 -1,-0.2 0.873 112.1 39.8 -56.0 -39.9 36.4 63.1 9.4 90 113 A W H X<5S+ 0 0 7 -4,-1.1 3,-1.4 -3,-0.7 -2,-0.2 0.915 113.1 52.9 -77.1 -44.3 33.5 61.5 7.5 91 114 A L H 3<5S+ 0 0 16 -4,-2.5 -2,-0.2 1,-0.3 -1,-0.2 0.837 118.6 38.0 -60.3 -31.7 31.1 64.4 8.1 92 115 A Q T 3<5S- 0 0 129 -4,-2.2 -1,-0.3 -5,-0.2 -2,-0.2 0.299 109.6-122.2-101.2 5.7 33.7 66.8 6.7 93 116 A E T < 5 + 0 0 144 -3,-1.4 -3,-0.2 -5,-0.1 -4,-0.1 0.854 54.9 167.1 52.4 37.4 34.9 64.4 4.0 94 117 A E > < - 0 0 90 -5,-3.2 3,-1.0 -6,-0.3 2,-0.2 -0.207 42.4 -76.0 -75.1 170.4 38.3 64.7 5.6 95 118 A P T 3 S+ 0 0 120 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.466 113.5 21.8 -75.0 140.5 41.2 62.3 4.7 96 119 A G T 3 S+ 0 0 56 1,-0.3 -6,-0.1 -2,-0.2 3,-0.1 0.489 84.0 156.6 84.8 3.9 41.3 58.8 6.1 97 120 A A < - 0 0 30 -3,-1.0 -1,-0.3 -8,-0.2 -10,-0.1 -0.267 51.6-101.3 -56.4 146.5 37.6 58.8 6.8 98 121 A F - 0 0 33 -12,-0.3 2,-0.8 -39,-0.1 -1,-0.1 -0.393 36.3-117.4 -63.6 151.7 36.0 55.4 6.9 99 122 A N + 0 0 102 1,-0.1 3,-0.3 -3,-0.1 4,-0.1 -0.847 39.3 167.8 -99.5 106.1 34.2 54.5 3.7 100 123 A W >> + 0 0 2 -2,-0.8 4,-2.0 1,-0.2 3,-1.1 0.369 43.9 109.8 -95.0 5.3 30.5 54.1 4.4 101 124 A S H 3> S+ 0 0 13 1,-0.3 4,-2.9 2,-0.2 5,-0.2 0.792 71.0 57.7 -58.8 -36.9 29.5 54.0 0.7 102 125 A M H 3> S+ 0 0 64 -3,-0.3 4,-2.1 1,-0.2 -1,-0.3 0.902 111.4 44.2 -55.9 -41.9 28.5 50.3 0.6 103 126 A Y H <> S+ 0 0 8 -3,-1.1 4,-2.8 2,-0.2 -2,-0.2 0.885 111.6 51.7 -72.9 -41.5 26.0 51.0 3.4 104 127 A S H X S+ 0 0 0 -4,-2.0 4,-1.9 2,-0.2 -2,-0.2 0.931 111.1 49.5 -58.9 -46.6 24.7 54.2 1.8 105 128 A Q H X S+ 0 0 11 -4,-2.9 4,-2.3 1,-0.2 -2,-0.2 0.942 112.0 48.6 -56.6 -47.7 24.2 52.2 -1.4 106 129 A H H X S+ 0 0 14 -4,-2.1 4,-2.7 1,-0.2 5,-0.2 0.867 107.0 52.8 -66.9 -38.3 22.4 49.5 0.5 107 130 A A H X S+ 0 0 0 -4,-2.8 4,-2.7 1,-0.2 -1,-0.2 0.892 110.3 51.2 -60.5 -38.5 20.1 51.8 2.4 108 131 A C H X>S+ 0 0 1 -4,-1.9 4,-2.0 -5,-0.2 5,-0.5 0.919 110.1 48.4 -63.9 -45.8 19.2 53.2 -1.0 109 132 A L H <5S+ 0 0 16 -4,-2.3 3,-0.3 2,-0.2 -2,-0.2 0.977 115.8 43.3 -53.6 -60.3 18.5 49.7 -2.4 110 133 A I H <5S+ 0 0 56 -4,-2.7 -2,-0.2 1,-0.2 -1,-0.2 0.874 112.6 52.0 -55.0 -44.8 16.3 48.8 0.6 111 134 A E H <5S- 0 0 34 -4,-2.7 -1,-0.2 -5,-0.2 -2,-0.2 0.862 89.8-159.0 -66.2 -34.6 14.5 52.1 0.7 112 135 A G T <5 + 0 0 56 -4,-2.0 -3,-0.1 -3,-0.3 -4,-0.1 0.869 49.7 124.8 60.5 44.4 13.6 51.8 -3.0 113 136 A K S > - 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